Summary

IMPPAT Phytochemical identifier: IMPHY009465

Phytochemical name: Veranisatin A

Synonymous chemical names:
veranisatin a, veranisatins a

External chemical identifiers:
CID:127870, ChEBI:175343

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Chemical structure information

SMILES:
COCC1(O)C2OC(=O)C(C3(C2)C(C21COC2=O)(O)CCC3C)O

InChI:
InChI=1S/C16H22O8/c1-8-3-4-16(21)13(8)5-9(24-11(18)10(13)17)15(20,7-22-2)14(16)6-23-12(14)19/h8-10,17,20-21H,3-7H2,1-2H3

InChIKey:
LXPKORXZVZPYLY-UHFFFAOYSA-N

DeepSMILES:
COCCO)COC=O)CCC6)CC8COC4=O)))))O)CCC5C))))))O

Functional groups:
CO, COC, COC(C)=O, O=C1CCO1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC23CCCC2C2(COC2=O)CC(C3)O1

Scaffold Graph/Node level:
OC1CC23CCCC2C2(COC2O)CC(C3)O1

Scaffold Graph level:
CC1CC2CC3(CCCC3C3(CCC3C)C2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Terpene lactones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Prezizaane sesquiterpenoids

NP-Likeness score: 3.466

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Chemical structure download